1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole

C26H36N2O — CID 16998310

IUPAC1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
SMILESCCCCCCCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C26H36N2O/c1-3-5-6-7-8-9-10-13-20-28-25-15-12-11-14-24(25)27-26(28)21-29-23-18-16-22(4-2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3
InChIKeyNSRHOYVJPCMUCJ-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.32
Rot. Bonds13

About 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole

1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole (PubChem CID 16998310) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
PubChem CID16998310
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
SMILESCCCCCCCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21
InChIInChI=1S/C26H36N2O/c1-3-5-6-7-8-9-10-13-20-28-25-15-12-11-14-24(25)27-26(28)21-29-23-18-16-22(4-2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3
InChIKeyNSRHOYVJPCMUCJ-UHFFFAOYSA-N
XLogP7.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole (CID 16998310) is 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole is CCCCCCCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21.
What is the InChIKey of 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
The InChIKey is NSRHOYVJPCMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-3-5-6-7-8-9-10-13-20-28-25-15-12-11-14-24(25)27-26(28)21-29-23-18-16-22(4-2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3.
What are the key properties of 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole?
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole has a molecular weight of 392.59 g/mol, XLogP of 7.32, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16998310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).